Identification

PhytoHub ID
PHUB001000
Name
Dihydroperillic acid (trans-)
Synonyms
Not Available
CAS Number
Not Available
Average Mass
168.236
Monoisotopic Mass
168.115029755
Chemical Formula
C10H16O2
IUPAC Name
(1s,4s)-4-(prop-1-en-2-yl)cyclohexane-1-carboxylic acid
InChI Key
XZOBEDLKVOHSSH-DTORHVGOSA-N
InChI Identifier
InChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h8-9H,1,3-6H2,2H3,(H,11,12)/t8-,9+
SMILES
CC(=C)[C@H]1CC[C@H](CC1)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.60e+00 g/l
LogS (ALOGPS)
-2.02
LogP (ALOGPS)
2.56
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
37.3
Refractivity
47.321600000000004
Polarizability
18.900913428035118
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
Not Available
pKa (strongest acidic)
4.939568069425187
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Precursor Taxonomy

PrecursorFamilyClassSub-class
LimoneneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Limonene Dihydroperillic acid (trans-)human ratplasma, urineC10H16O2168.115029755 Publications
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